3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

C10H14F3N3OS — CID 119340890

IUPAC3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)CCN)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3OS/c1-2-6(15-8(17)3-4-14)9-16-7(5-18-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyKJYYFKDGEJJNJG-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide

3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (PubChem CID 119340890) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
PubChem CID119340890
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
SMILESCCC(NC(=O)CCN)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H14F3N3OS/c1-2-6(15-8(17)3-4-14)9-16-7(5-18-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyKJYYFKDGEJJNJG-UHFFFAOYSA-N
XLogP2.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pentanamide;hydrochloride
CID 120563791
3-(2-aminophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide;hydrochloride
CID 120611631
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-4-carboxamide
CID 120637734
2-hydroxy-2-phenyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 111540942
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,3-thiazole-5-carboxamide
CID 71985953
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 95906732
1-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 102553878
5-methyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1H-pyrazole-3-carboxamide
CID 95906724
(2S)-2-imidazol-1-yl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide
CID 95906652
2-thiomorpholin-3-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide;hydrochloride
CID 119940258
4-ethenyl-N-[(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]benzamide
CID 99783883

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The IUPAC name of 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide (CID 119340890) is 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The canonical SMILES for 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is CCC(NC(=O)CCN)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
The InChIKey is KJYYFKDGEJJNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-6(15-8(17)3-4-14)9-16-7(5-18-9)10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide?
3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide has a molecular weight of 281.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 119340890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).